Migration of fluorine in fluorapatite - a concerted mechanism

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Molecular dynamics simulations, used in conjunction with a set of classical pair potentials, have been employed to investigate the transport of fluorine in fluorapatite. A new coupled interstitial migration mechanism is identified with a migration activation energy of 0.55 eV in the temperature range 1100-1500 K. A full description of the mechanism is provided, which differs markedly from previously proposed vacancy mechanisms for fluorine transport.
Original languageUnknown
Pages (from-to)6097-6103
Number of pages7
JournalJournal of Materials Chemistry
Issue number13
Publication statusPublished - 2012
Externally publishedYes
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